5-[[3-[[3,5-bis[bis(2-methoxyethyl)carbamoyl]phenoxy]methyl]-5-(methylcarbamoyl)phenyl]methoxy]-1-N,1-N,3-N,3-N-tetrakis(2-methoxyethyl)benzene-1,3-dicarboxamide | 252289-77-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-[[3-[[3,5-bis[bis(2-methoxyethyl)carbamoyl]phenoxy]methyl]-5-(methylcarbamoyl)phenyl]methoxy]-1-N,1-N,3-N,3-N-tetrakis(2-methoxyethyl)benzene-1,3-dicarboxamide
• CAS: 252289-77-3
• 化学式: C₅₀H₇₃N₅O₁₅
• 分子量: 984.154
• InChiKey: IOUOWDDRQKCYBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  70
• 可旋转键数：
  35
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  203
• 氢给体数：
  1
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  5-[[3-[[3,5-bis[bis(2-methoxyethyl)carbamoyl]phenoxy]methyl]-5-(methylcarbamoyl)phenyl]methoxy]-1-N,1-N,3-N,3-N-tetrakis(2-methoxyethyl)benzene-1,3-dicarboxamide 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以80%的产率得到N-[[3-[[3-[[3,5-bis[[bis(2-methoxyethyl)amino]methyl]phenoxy]methyl]-5-(methylaminomethyl)phenyl]methoxy]-5-[[bis(2-methoxyethyl)amino]methyl]phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
  参考文献：
  名称：

  Dendrimers with Alternating Amine and Ether Generations

  摘要：

  Dendrimers having alternating aryl benzyl ether and tertiary amine generations and up to 16 bis-(2-methoxyethyl)amine end groups and four internal tertiary amines were synthesized by sequential etherification, amidation of secondary amines, and LiAlH4 reduction to tertiary amines. The bis-(2-methoxyethyl)amine dendrimers are soluble in common organic solvents and in aqueous buffer solutions at pH < 4.7. At 2.8 mM, the dendrimer increases the solubility of pyrene in water 30-fold, and the solvated pyrene is not aggregated.

  DOI：

  10.1021/jo991042c
• 作为产物：
  描述：

  5-羟基间苯二甲酸 在 氯化亚砜 、 potassium carbonate 、 三乙胺 、 甲胺 作用下， 以 四氢呋喃 、 甲醇 、 水 、 甲苯 为溶剂， 反应 73.5h， 生成 5-[[3-[[3,5-bis[bis(2-methoxyethyl)carbamoyl]phenoxy]methyl]-5-(methylcarbamoyl)phenyl]methoxy]-1-N,1-N,3-N,3-N-tetrakis(2-methoxyethyl)benzene-1,3-dicarboxamide
  参考文献：
  名称：

  Dendrimers with Alternating Amine and Ether Generations

  摘要：

  Dendrimers having alternating aryl benzyl ether and tertiary amine generations and up to 16 bis-(2-methoxyethyl)amine end groups and four internal tertiary amines were synthesized by sequential etherification, amidation of secondary amines, and LiAlH4 reduction to tertiary amines. The bis-(2-methoxyethyl)amine dendrimers are soluble in common organic solvents and in aqueous buffer solutions at pH < 4.7. At 2.8 mM, the dendrimer increases the solubility of pyrene in water 30-fold, and the solvated pyrene is not aggregated.

  DOI：

  10.1021/jo991042c

文献信息

• Dendrimers with Alternating Amine and Ether Generations
  作者：Yijun Pan、Warren T. Ford

  DOI：10.1021/jo991042c

  日期：1999.11.1

  Dendrimers having alternating aryl benzyl ether and tertiary amine generations and up to 16 bis-(2-methoxyethyl)amine end groups and four internal tertiary amines were synthesized by sequential etherification, amidation of secondary amines, and LiAlH4 reduction to tertiary amines. The bis-(2-methoxyethyl)amine dendrimers are soluble in common organic solvents and in aqueous buffer solutions at pH < 4.7. At 2.8 mM, the dendrimer increases the solubility of pyrene in water 30-fold, and the solvated pyrene is not aggregated.